SCHEMBL8680256

SCHEMBL8680256

CC1=Cc2cc(Br)cc([N+](=O)[O-])c2OC12N(C)c1ccccc1C2(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALPG P10696 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
GFER P55789 1/20 0.31
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8685160 0.89 SMN1; SMN2 (0.65) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL8685259 0.86 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL8681966 0.85 MAPT (0.64) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL8684766 0.84 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL29493001 0.79 MAPT (0.51) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL1896282 0.79 MAPT (0.51) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL8680552 0.78 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL8685173 0.77 MAPK1 (0.41) MAPK1SMN1; SMN2MAPTGAALMNA
SCHEMBL8680166 0.77 SMN1; SMN2 (0.42) MAPK1SMN1; SMN2MAPTNPSR1GAA
SCHEMBL8680280 0.76 SMN1; SMN2 (0.45) MAPK1SMN1; SMN2MAPTNPSR1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed